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BioLiP

PDB CCD ID: R60
Number of entries in BioLiP: 1
Chemical formula: C11 H10 F N O2
InChI: InChI=1S/C11H10FNO2/c1-13(2)11(14)9-6-7-4-3-5-8(12)10(7)15-9/h3-6H,1-2H3
InChIKey: ASMPIWMZHMGTON-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CN(C)C(=O)c1oc2c(F)cccc2c1
OpenEye OEToolkits 2.0.7CN(C)C(=O)c1cc2cccc(c2o1)F
Name:7-fluoranyl-~{N},~{N}-dimethyl-1-benzofuran-2-carboxamide
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).

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